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Measurement of activity coefficients at infinite dilution for hydrocarbons in imidazolium-based ionic

ZHU Jiqin, YU Yanmei, CHEN Jian, FEI Weiyang

《化学科学与工程前沿（英文）》 2007年 第1卷 第2期   页码 190-194 doi: 10.1007/s11705-007-0035-3

摘要： The separations of olefin/paraffin, aromatic/aliphatic hydrocarbons or olefin isomers using ionic liquids instead of volatile solvents have interested many researchers. Activity coefficients γ at infinite dilution of a solute in ionic liquid are generally used in the selection of solvents for extraction or extractive distillation. In fact, the measurement of γ by gas-liquid chromatography is a speedy and cost-saving method. Activity coefficients at infinite dilution of hydrocarbon solutes, such as alkanes, hexenes, alkylbenzenes, styrene, in 1-allyl-3-methylimidazolium tetrafluoroborate ([AMIM][BF]) and 1-butyl-3-methyl imidazolium hexafluorophosphate ([BMIM][PF6]), 1-isobutenyl-3-methylimidazolium tetrafluoroborate ([MPMIM][BF]) and [MPMIM][BF]-AgBF have been determined by gas-liquid chromatography using ionic liquids as stationary phase. The measurements were carried out at different temperatures from 298 to 318 K. The separating effects of these ionic liquids for alkanes/hexane, aliphatic hydrocarbons/benzene and hexene isomers have been discussed. The hydrophobic parameter, dipole element, frontier molecular orbital energy gap and hydration energy of these hydrocarbons were calculated with the PM3 semi-empirical quantum chemistry method. The quantitative relations among the computed structure parameters and activity coefficients at infinite dilution were also developed. The experimental activity coefficient data are consistent with the correlated and predicted results using QSPR models.

关键词： cost-saving     consistent     coefficient     measurement     separating    

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Simulation on thermodynamic state of ammonia carbonation at low temperature and low pressure

Jingcai ZHAO, Xingfu SONG, Ze SUN, Jianguo YU

《化学科学与工程前沿（英文）》 2013年 第7卷 第4期   页码 447-455 doi: 10.1007/s11705-013-1370-1

摘要： This study on thermodynamic property of NH -CO -H O system provided the basic data for ammonia carbonation. Simulations on vapor-liquid equilibrium (VLE) of ammonia carbonation with different physical properties were discussed in NH -H O and NH -CO -H O systems, respectively. The results indicated that at low temperature (303.15 K–363.15 K) and pressure (0.1–0.4 MPa), the PR (Peng-Robinson) equation was suitable for the description of the thermodynamic state in NH -H O system. NRTL (Non-Random-Two-Liquid) series models were selected for NH -CO -H O mixed electrolyte solution system. VLE data regression results showed that NRTL series models were suitable for describing thermodynamic properties of NH -CO -H O system, because average relative error fitting with each model was about 1%. As an asymmetric electrolytes model in NRTL model, E–NRTLRK (Electrolyte NRTL Redlich Kwong) could most accurately fit VLE data of NH -CO -H O system, with fitting error less than 1%. In the extent temperature range of 273.15 K–363.15 K, the prediction of product component using E-NRTLRK model for ammonia carbonation agreed well with the data reported in literature.

关键词： vapor-liquid equilibrium     activity coefficient     carbon dioxide     ammonia     NRTL    

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Modeling of specific structure crystallization coupling with dissolution

Yuanhui JI, Hongliang QIAN, Chang LIU, Xiaohua LU, Xin FENG, Xiaoyan JI,

《化学科学与工程前沿（英文）》 2010年 第4卷 第1期   页码 52-56 doi: 10.1007/s11705-009-0301-7

摘要： In this paper, the research framework for specific structure crystallization modeling has been proposed in which four steps are required in order to investigate the rigorous crystallization modeling by thermodynamics. The first is the activity coefficient model of the solution, the second is Solid-Liquid equilibrium, the third and fourth are the dissolution and crystallization kinetics modeling, respectively. Our investigations show that the mechanisms of complex structure formation and microphase transition can be analyzed by combining the dissolution and crystallization kinetics modeling. Moreover, the formation mechanism of the porous KCl has been analyzed, which may provide a reference for the porous structure formation in the advanced material synthesis.

关键词： structure crystallization     activity coefficient     reference     KCl     dissolution    

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RETRACTED ARTICLE: Momentum exchange coefficient for two jet flows mixing in a tee junction

《化学科学与工程前沿（英文）》 2023年 第17卷 第12期   页码 2161-2161 doi: 10.1007/s11705-009-0143-3

摘要： RETRACTED ARTICLE: Momentum exchange coefficient for two jet flows mixing in a tee junction

关键词： tee junction     Momentum exchange coefficient     RETRACTED    

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Experimental study of heat transfer coefficient with rectangular baffle fin of solar air heater

Foued CHABANE,Nesrine HATRAF,Noureddine MOUMMI

《能源前沿（英文）》 2014年 第8卷 第2期   页码 160-172 doi: 10.1007/s11708-014-0321-y

摘要： This paper presents an experimental analysis of a single pass solar air collector with, and without using baffle fin. The heat transfer coefficient between the absorber plate and air can be considerably increased by using artificial roughness on the bottom plate and under the absorber plate of a solar air heater duct. An experimental study has been conducted to investigate the effect of roughness and operating parameters on heat transfer. The investigation has covered the range of Reynolds number from 1259 to 2517 depending on types of the configuration of the solar collectors. Based on the experimental data, values of Nusselt number have been determined for different values of configurations and operating parameters. To determine the enhancement in heat transfer and increment in thermal efficiency, the values of Nusselt have been compared with those of smooth duct under similar flow conditions.

关键词： Nusselt number     flow rate     heat transfer     heat transfer coefficient     thermal efficiency     forced convection    

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IDEEA activity monitor: validity of activity recognition for lying, reclining, sitting and standing

null

《医学前沿（英文）》 2013年 第7卷 第1期   页码 126-131 doi: 10.1007/s11684-012-0236-0

摘要：

Recent evidence demonstrates the independent negative effects of sedentary behavior on health, but there are few objective measures of sedentary behavior. Most instruments measure physical activity and are not validated as measures of sedentary behavior. The purpose of this study was to evaluate the validity of the IDEEA system’s measures of sedentary and low-intensity physical activities: lying, reclining, sitting and standing. Thirty subjects, 14 men and 16 women, aged 23 to 77 years, body mass index (BMI) between 18 to 34 kg/m2, participated in the study. IDEEA measures were compared to direct observation for 27 activities: 10 lying in bed, 3 lying on a sofa, 1 reclining in a lawn chair, 10 sitting and 3 standing. Two measures are reported, the percentage of activities accurately identified and the percentage of monitored time that was accurately labeled by the IDEEA system for all subjects. A total of 91.6% of all observed activities were accurately identified and 92.4% of the total monitored time was accurately labeled. The IDEEA system did not accurately differentiate between lying and reclining so the two activities were combined for calculating accuracy. Using this approach the IDEEA system accurately identified 96% of sitting activities for a total of 97% of the monitored sitting time, 99% and 99% for standing, 87% and 88% for lying in bed, 87% and 88% for lying on the sofa, and 83% and 83% for reclining on a lawn chair. We conclude that the IDEEA system accurately recognizes sitting and standing positions, but it is less accurate in identifying lying and reclining positions. We recommend combining the lying and reclining activities to improve accuracy. The IDEEA system enables researchers to monitor lying, reclining, sitting and standing with a reasonable level of accuracy and has the potential to advance the science of sedentary behaviors and low-intensity physical activities.

关键词： IDEEA     activity monitor     sedentary behavior    

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A photolysis coefficient for characterizing the response of aqueous constituents to photolysis

David R. HOKANSON,Ke LI,R. Rhodes TRUSSELL

《环境科学与工程前沿（英文）》 2016年 第10卷 第3期   页码 428-437 doi: 10.1007/s11783-015-0780-3

摘要： UV photolysis and UV based advanced oxidation processes (AOPs) are gaining more and more attention for drinking water treatment. Quantum yield ( ) and molar absorption coefficient ( ) are the two critical parameters measuring the effectiveness of photolysis of a compound. The product of the two was proposed as a fundamental measure of a constituent’s amenability to transformation by photolysis. It was shown that this product, named the photolysis coefficient, , can be determined using standard bench tests and captures the properties that govern a constituent’s transformation when exposed to light. The development showed the photolysis coefficient to be equally useful for microbiological, inorganic and organic constituents. Values of calculated by the authors based on quantum yield and molar absorption coefficient data from the literature were summarized. Photolysis coefficients among microorganisms ranged from 8500 to more than 600000 and are far higher than for inorganic and organic compounds, which varied over a range of approximately 10 to 1000 and are much less sensitive to UV photolysis than the microorganisms.

关键词： UV photolysis     disinfection     advanced oxidation     N-nitrosodimethylamine     quantum yield     absorption coefficient    

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Production of pectic extracts from sugar beet pulp with antiproliferative activity on a breast cancer

Jacqueline CONCHA, Caroline WEINSTEIN, María Elvira Zú?IGA

《化学科学与工程前沿（英文）》 2013年 第7卷 第4期   页码 482-489 doi: 10.1007/s11705-013-1342-5

摘要： In the last years, sugar beet pectins have been the subject of several investigations involving extraction methodologies, chemical composition and functional properties. The structure of pectins, which depends on the extraction method, is decisive in their capacity to induce apoptosis on several cancer cell lines like colon, prostate and breast. In this work, sugar beet pectin extraction was performed in the following steps: lipid extraction with hexane, removal of soluble complex carbohydrates and proteins, and enzymatic treatment with amyloglucosidase, protease, and pectinase. The enzymatic treatment was carried out with Rohapect DA6L under the following conditions: 50°C, pH 4.0, 2% enzyme/substrate (E/S) ratio, 15 h, and a solid to liquid ratio of 1 ∶ 10. The pectic extract showed a degree of polymerization (DP) profile of 55.8% with DP≥7; 4.9% with DP6; 5.8% between DP2 and DP6 ; 4.7% with DP2; and 28.8% with DP1. The pectic extract was examined for its antiproliferative activity on the MCF-7 breast cancer cell line. At a concentration range of 12.5–25 mg/mL the pectic extract killed 80.6% of the cells, exhibiting a higher antiproliferative activity than 4-hydroxytamoxifen (4-OHT), a classical anticancer drug, which killed 56.5% of the cells.

关键词： pectic extracts     antiproliferative activity     breast cancer     enzymatic treatment    

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Effect of heat transfer coefficient of steam turbine rotor on thermal stress field under off-design condition

Jie GUO,Danmei XIE,Hengliang ZHANG,Wei JIANG,Yan ZHOU

《能源前沿（英文）》 2016年 第10卷 第1期   页码 57-64 doi: 10.1007/s11708-015-0385-3

摘要： The precise calculation of temperature and thermal stress field of steam turbine rotor under off-design conditions is of paramount significance for safe and economic operation, in which an accurate calculation of heat transfer (HT) coefficient plays a decisive role. HT coefficient changes dramatically along with working conditions. First, a finite element analysis of rotor model, applied with ordinary rotor materials, has been conducted to investigate the temperature and thermal stress difference along with the change of HT coefficient from 20 W/(m ·°C) to 20000 W/(m ·°C). Next, the differentiation between existing empirical formulas has been analyzed from the aspect of physical significance of non-dimension parameters. Finally, a verifying case of the cold startup of a 1000MW unit has been proceeded. The result shows that the accuracy of coefficient calculation when steam parameters are low has a greater influence on that of rotor temperature and thermal stress, which means a precise empirical HT coefficient formula, like the Sarkar formula is strongly recommended. When steam parameters are high and HT coefficient is larger than 10 W/(m ·°C), there will be barely any influence on the calculation of thermal stress. This research plays a constructive role in the calculation and analysis of thermal stress.

关键词： steam turbine     rotor     thermal stress     heat transfer coefficient     empirical formula    

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Dimensionality reduction and prediction of soil consolidation coefficient using random forest coupling

Hai-Bang LY; Huong-Lan Thi VU; Lanh Si HO; Binh Thai PHAM

《结构与土木工程前沿（英文）》 2022年 第16卷 第2期   页码 224-238 doi: 10.1007/s11709-022-0812-6

摘要： The consolidation coefficient of soil (Cv) is a crucial parameter used for the design of structures leaned on soft soi. In general, the Cv is determined experimentally in the laboratory. However, the experimental tests are time-consuming as well as expensive. Therefore, researchers tried several ways to determine Cv via other simple soil parameters. In this study, we developed a hybrid model of Random Forest coupling with a Relief algorithm (RF-RL) to predict the Cv of soil. To conduct this study, a database of soil parameters collected from a case study region in Vietnam was used for modeling. The performance of the proposed models was assessed via statistical indicators, namely Coefficient of determination (R2), Root Mean Squared Error (RMSE), and Mean Absolute Error (MAE). The proposal models were constructed with four sets of soil variables, including 6, 7, 8, and 13 inputs. The results revealed that all models performed well with a high performance (R2 > 0.980). Although the RF-RL model with 13 variables has the highest prediction accuracy ( R2 = 0.9869), the difference compared with other models was negligible (i.e., R2 = 0.9824, 0.9850, 0.9825 for the cases with 6, 7, 8 inputs, respectively). Thus, it can be concluded that the hybrid model of RF-RL can be employed to predict Cv based on the basic soil parameters.

关键词： soil consolidation coefficient     machine learning     random forest     Relief    

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Low intensity ultrasound stimulates biological activity of aerobic activated sludge

LIU Hong, YAN Yixin, WANG Wenyan, YU Yongyong

《环境科学与工程前沿（英文）》 2007年 第1卷 第1期   页码 67-72 doi: 10.1007/s11783-007-0013-5

摘要： This work aims to explore a procedure to improve biological wastewater treatment efficiency using low intensity ultrasound. The aerobic activated sludge from a municipal wastewater treatment plant was used as the experimental material. Oxygen uptake rate (OUR) of the activated sludge (AS) was determined to indicate the changes of AS activity stimulated by ultrasound at 35 kHz for 0 40 min with ultrasonic intensities of 0 1.2 W/cm. The highest OUR was observed at the ultrasonic intensity of 0.3 W/cm and an irradiation period of 10 min; more than 15% increase was achieved immediately after sonication. More significantly, the AS activity stimulated by ultrasound could last 24 h after sonication, and the AS activity achieved its peak value within 8 h after sonication, or nearly 100% higher than the initial level after sonication. Therefore, to improve the wastewater treatment efficiency of bioreactors, ultrasound with an intensity of 0.3 W/cm could be employed to irradiate a part of the AS in the bioreactor for 10 min every 8 h.

关键词： sonication     irradiation     kHz     treatment efficiency     AS activity    

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preparation of Ag@AgCl/Bio-veins composites and their photocatalytic activity and recyclability

《化学科学与工程前沿（英文）》 2023年 第17卷 第7期   页码 906-917 doi: 10.1007/s11705-022-2273-9

摘要： The industrial application of nano-photocatalysts in wastewater treatment has been severely restricted for a long time due to their difficult separation, poor reusability, and low efficiency. In this work, a facile strategy was proposed to enhance the photocatalytic activity and recovery performance of Ag@AgCl nanocatalysts. Biological veins (Bio-veins) with a unique 3D porous construction were used as carriers for the in-situ growth of Ag@AgCl nanoparticles. Scanning electron microscopy results showed that the Ag@AgCl nanoparticles were uniformly loaded on the surface and interior of the Bio-veins, and the size of the Ag@AgCl nanoparticles immobilized on the Bio-veins (50–300 nm) was significantly smaller than Ag@AgCl obtained by the co-precipitation method (1–3 μm). The Bio-veins played a vital role in the photocatalysis reaction system. The degradation efficiency of the Ag@AgCl/Bio-veins(CI4) was up to 3.50 times as high as pure Ag@AgCl. Furthermore, the composites also exhibited excellent recyclability and stability under both visible and solar light. This work provided a suitable strategy for nano-photocatalysts for practical application and may also offer new possibilities for the high-value utilization of biomass materials.

关键词： Ag@AgCl     biological veins     photocatalytic activity     recyclability    

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Effect of 2-butenal manufacture wastewater to methanogenic activity and microbial community

Guangqing Song, Hongbo Xi, Xiumei Sun, Yudong Song, Yuexi Zhou

《环境科学与工程前沿（英文）》 2018年 第12卷 第5期 doi: 10.1007/s11783-018-1056-5

摘要：

The inhibition ratio sharply increased with the increasing COD.

The absorbance of UV-vis at 420 nm showed a linear correlation with the SMA.

The molecular structure of EPS has changed when COD was 9585 mg/L.

Illumina Miseq sequencing was employed to reveal the microbial composition.

关键词： 2-butenal manufacture wastewater     Methanogenic activity     Specific methanogenic activity (SMA)     Extracellular polymeric substance (EPS)     Microbial community    

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Antithrombin deficiency and decreased protein C activity in a young man with venous thromboembolism:

null

《医学前沿（英文）》 2018年 第12卷 第3期   页码 319-323 doi: 10.1007/s11684-017-0553-4

摘要：

Antithrombin and protein C are two crucial members in the anticoagulant system and play important roles in hemostasis. Mutations in and lead to deficiency or dysfunction of the two proteins, which could result in venous thromboembolism (VTE). Here, we report a Chinese 22-year-old young man who developed recurrent and serious VTE in cerebral veins, visceral veins, and deep veins of the lower extremity. Laboratory tests and direct sequencing of and were conducted for the patient and his family members. Coagulation tests revealed that the patient presented type I antithrombin deficiency combined with decreased protein C activity resulting from a small insertion mutation c.848_849insGATGT in and a short deletion variant c.572_574delAGA in . This combination of the two mutations was absent in 400 healthy subjects each from southern and northern China. Then, we summarized all the mutations of the and gene reported in the Chinese Han population. This study demonstrates that the combination of antithrombin deficiency and decreased protein C activity can result in severe VTE and that the coexistence of different genetic factors may increase the risk of VTE.

关键词： antithrombin deficiency     protein C activity     mutation     variant     venous thromboembolism     anticoagulants    

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Developing the QSPR model for predicting the storage lipid/water distribution coefficient of organic

Miao Li, Jian Li, Yuchen Lu, Cenyang Han, Xiaoxuan Wei, Guangcai Ma, Haiying Yu

《环境科学与工程前沿（英文）》 2021年 第15卷 第2期 doi: 10.1007/s11783-020-1316-z

摘要： Abstract • A predictive model for storage lipid/water distribution coefficient was developed. • The model yields outstanding fitting performance, robustness, and predictive ability. • Hydrophobic and electrostatic interactions and molecular size dominate log Klip/w. • The model can be used in a wide application domain to predict log Klip/w values. The distribution of organic compounds in stored lipids affects their migration, transformation, bioaccumulation, and toxicity in organisms. The storage lipid/water distribution coefficient (log Klip/w) of organic chemicals, which quantitatively determines such distribution, has become a key parameter to assist their ecological security and health risk. Due to the impossibility to measure Klip/w values for a huge amount of chemicals, it is necessary to develop predictive approaches. In this work, a quantitative structure-property relationship (QSPR) model for estimating log Klip/w values of small organic compounds was constructed based on 305 experimental log Klip/w values. Quantum chemical descriptors and n-octanol/water partitioning coefficient were employed to characterize the intermolecular interactions that dominate log Klip/w values. The hydrophobic and electrostatic interactions and molecular size have been found to play important roles in governing the distribution of chemicals between lipids and aqueous phases. The regression (R2 = 0.959) and validation (Q2 = 0.960) results indicate good fitting performance and robustness of the developed model. A comparison with the predictive performance of other commercial software further proves the higher accuracy and stronger predictive ability of the developed Klip/w predictive model. Thus, it can be used to predict the Klip/w values of cycloalkanes, long-chain alkanes, halides (with fluorine, chlorine, and bromine as substituents), esters (without phosphate groups), alcohols (without methoxy groups), and aromatic compounds.

关键词： Storage lipid/water distribution coefficient     log Klip/w     Organic compounds     QSPR     Quantum chemical descriptors    

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标题 作者 时间 类型 操作

Measurement of activity coefficients at infinite dilution for hydrocarbons in imidazolium-based ionic

ZHU Jiqin, YU Yanmei, CHEN Jian, FEI Weiyang

期刊论文

Simulation on thermodynamic state of ammonia carbonation at low temperature and low pressure

Jingcai ZHAO, Xingfu SONG, Ze SUN, Jianguo YU

期刊论文

Modeling of specific structure crystallization coupling with dissolution

Yuanhui JI, Hongliang QIAN, Chang LIU, Xiaohua LU, Xin FENG, Xiaoyan JI,

期刊论文

RETRACTED ARTICLE: Momentum exchange coefficient for two jet flows mixing in a tee junction

期刊论文

Experimental study of heat transfer coefficient with rectangular baffle fin of solar air heater

Foued CHABANE,Nesrine HATRAF,Noureddine MOUMMI

期刊论文

IDEEA activity monitor: validity of activity recognition for lying, reclining, sitting and standing

null

期刊论文

A photolysis coefficient for characterizing the response of aqueous constituents to photolysis

David R. HOKANSON,Ke LI,R. Rhodes TRUSSELL

期刊论文

Production of pectic extracts from sugar beet pulp with antiproliferative activity on a breast cancer

Jacqueline CONCHA, Caroline WEINSTEIN, María Elvira Zú?IGA

期刊论文

Effect of heat transfer coefficient of steam turbine rotor on thermal stress field under off-design condition

Jie GUO,Danmei XIE,Hengliang ZHANG,Wei JIANG,Yan ZHOU

期刊论文

Dimensionality reduction and prediction of soil consolidation coefficient using random forest coupling

Hai-Bang LY; Huong-Lan Thi VU; Lanh Si HO; Binh Thai PHAM

期刊论文

Low intensity ultrasound stimulates biological activity of aerobic activated sludge

LIU Hong, YAN Yixin, WANG Wenyan, YU Yongyong

期刊论文

preparation of Ag@AgCl/Bio-veins composites and their photocatalytic activity and recyclability

期刊论文

Effect of 2-butenal manufacture wastewater to methanogenic activity and microbial community

Guangqing Song, Hongbo Xi, Xiumei Sun, Yudong Song, Yuexi Zhou

期刊论文

Antithrombin deficiency and decreased protein C activity in a young man with venous thromboembolism:

null

期刊论文

Developing the QSPR model for predicting the storage lipid/water distribution coefficient of organic

Miao Li, Jian Li, Yuchen Lu, Cenyang Han, Xiaoxuan Wei, Guangcai Ma, Haiying Yu

期刊论文